SCHEMBL1460152

SCHEMBL1460152

Cc1cc(-c2nnco2)ncc1-c1ccc2[nH]c(-c3c(F)cccc3Cl)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.50
PTGES O14684 6/20 0.36
CYP2C9 P11712 3/20 0.36
NOTUM Q6P988 5/20 0.34
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
RAB9A P51151 1/20 0.32
CHEK1 O14757 1/20 0.32
ACHE P22303 1/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP2D6 P10635 1/20 0.31
METAP2 P50579 1/20 0.31
FFAR1 O14842 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1459495 0.88 ORAI1 (0.44) ORAI1PTGESCYP2C9NOTUMRAB9A
SCHEMBL1459966 0.87 ORAI1 (0.51) ORAI1PTGESCYP2C9PIM1PIM3
SCHEMBL1462823 0.85 ORAI1 (0.41) ORAI1PTGESCYP2C9NOTUMCYP2D6
SCHEMBL1463770 0.83 ORAI1 (0.43) ORAI1PTGESCYP2C9NOTUMRAB9A
SCHEMBL1460101 0.82 ORAI1 (0.59) ORAI1PTGESCYP2C9CHEK1CYP1A1
SCHEMBL12825958 0.81 ORAI1 (0.57) ORAI1PTGESCYP2C9RAB9ACYP1A1
SCHEMBL1459531 0.80 ORAI1 (0.42) ORAI1CYP1A1
SCHEMBL1460119 0.79 ORAI1 (0.77) ORAI1PTGESCYP2C9CYP1A1CYP2D6
SCHEMBL1459911 0.79 ORAI1 (0.58) ORAI1PTGESCYP2C9CYP2D6FFAR1
SCHEMBL1464317 0.78 ORAI1 (0.55) ORAI1PTGESCYP2C9CYP2D6FFAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP claimed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO claimed
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ORAI1, RYR2, CACNA1E ORAI1 1/4885PTGES 963/4885CYP2C9 2005/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.